==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-10 3N2I . COMPND 2 MOLECULE: THYMIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR ELTOR; . AUTHOR A.S.HALAVATY,G.MINASOV,L.SHUVALOVA,J.WINSOR,I.DUBROVSKA,S.PE . 415 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19022.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 3 0 0 0 3 2 0 2 0 0 4 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 141 0, 0.0 2,-0.3 0, 0.0 204,-0.0 0.000 360.0 360.0 360.0 145.4 42.7 -39.8 26.2 2 2 A N - 0 0 131 1,-0.1 86,-0.0 90,-0.0 2,-0.0 -0.776 360.0 -65.8-120.2 166.9 40.0 -37.2 27.1 3 3 A A - 0 0 22 85,-0.3 2,-0.3 -2,-0.3 89,-0.1 -0.227 54.4-172.6 -65.7 140.5 37.9 -35.5 24.5 4 4 A K - 0 0 50 87,-0.1 90,-2.2 -2,-0.0 2,-0.6 -0.885 24.9-129.4-133.2 163.3 39.4 -33.1 22.0 5 5 A F E -a 94 0A 0 -2,-0.3 127,-2.4 88,-0.2 128,-1.4 -0.958 25.7-170.6-115.1 114.3 38.4 -30.7 19.3 6 6 A I E -ab 95 133A 0 88,-2.9 90,-2.6 -2,-0.6 2,-0.4 -0.928 5.7-160.1-108.9 127.8 40.1 -31.3 16.0 7 7 A V E -ab 96 134A 1 126,-2.7 128,-3.0 -2,-0.5 2,-0.5 -0.897 10.2-152.0-115.5 140.7 39.8 -28.7 13.2 8 8 A I E +ab 97 135A 0 88,-2.7 90,-2.6 -2,-0.4 2,-0.2 -0.949 26.2 176.7-105.9 131.3 40.3 -29.0 9.5 9 9 A E E + b 0 136A 0 126,-2.6 128,-2.2 -2,-0.5 2,-0.2 -0.738 15.8 96.9-128.6 172.4 41.3 -25.8 7.8 10 10 A G E - b 0 137A 0 -2,-0.2 128,-0.1 126,-0.2 3,-0.1 -0.626 65.7 -51.3 131.5 168.2 42.3 -24.5 4.4 11 11 A L > - 0 0 5 126,-0.5 3,-1.3 -2,-0.2 5,-0.2 -0.235 69.3 -86.0 -68.6 160.4 41.1 -22.8 1.2 12 12 A E T 3 S+ 0 0 72 1,-0.2 136,-0.2 2,-0.1 135,-0.2 -0.499 117.4 39.1 -69.7 144.3 38.2 -24.2 -0.6 13 13 A G T 3 S+ 0 0 15 134,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.392 80.1 112.2 94.2 -0.8 39.2 -26.9 -3.0 14 14 A A S < S- 0 0 3 -3,-1.3 -2,-0.1 123,-0.1 5,-0.1 0.421 93.2-105.7 -82.0 -1.9 41.7 -28.4 -0.5 15 15 A G > + 0 0 30 129,-0.1 4,-2.3 3,-0.1 3,-0.2 0.894 57.8 164.9 79.0 44.4 39.6 -31.6 -0.0 16 16 A K H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 71.3 53.2 -61.1 -38.1 38.3 -30.8 3.4 17 17 A S H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 108.1 50.9 -72.6 -30.6 35.6 -33.3 3.3 18 18 A T H > S+ 0 0 49 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.971 112.1 48.0 -65.3 -46.4 38.0 -36.1 2.4 19 19 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.880 108.7 53.6 -60.8 -41.0 40.2 -34.9 5.4 20 20 A I H X S+ 0 0 16 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.947 110.8 46.4 -58.3 -49.6 37.3 -34.8 7.8 21 21 A Q H X S+ 0 0 65 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.910 111.4 51.3 -61.6 -41.7 36.4 -38.4 6.9 22 22 A V H X S+ 0 0 7 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.963 111.3 48.5 -58.8 -47.8 40.0 -39.5 7.2 23 23 A V H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.923 112.6 48.4 -59.4 -43.9 40.2 -37.9 10.7 24 24 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.968 110.7 49.1 -62.9 -53.9 37.0 -39.5 11.8 25 25 A E H X S+ 0 0 73 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.861 108.6 55.2 -55.3 -35.9 38.0 -43.0 10.6 26 26 A T H X S+ 0 0 1 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.958 108.2 47.1 -61.9 -48.8 41.3 -42.7 12.4 27 27 A L H <>S+ 0 0 0 -4,-2.0 5,-2.2 1,-0.2 3,-0.3 0.907 111.9 51.8 -60.3 -40.7 39.6 -41.9 15.7 28 28 A Q H ><5S+ 0 0 86 -4,-2.4 3,-2.2 1,-0.3 -1,-0.2 0.921 104.8 53.8 -60.7 -47.8 37.2 -44.9 15.1 29 29 A Q H 3<5S+ 0 0 136 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.805 106.9 57.6 -57.0 -27.6 40.1 -47.3 14.5 30 30 A N T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.133 126.9 -98.5 -92.0 21.2 41.4 -46.0 17.8 31 31 A G T < 5S+ 0 0 60 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.519 85.3 127.4 78.6 8.1 38.3 -47.0 19.8 32 32 A I < + 0 0 28 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.869 18.2 154.9-101.0 103.5 36.7 -43.5 19.7 33 33 A D + 0 0 112 -2,-0.8 2,-0.9 1,-0.1 -1,-0.1 0.508 50.3 80.9-105.8 -11.2 33.1 -44.0 18.4 34 34 A H + 0 0 138 57,-0.1 59,-1.6 2,-0.0 2,-0.4 -0.833 60.9 152.2-102.2 97.3 31.3 -41.0 19.9 35 35 A I E -c 93 0A 33 -2,-0.9 2,-0.4 57,-0.2 59,-0.2 -0.989 33.2-152.2-132.8 138.2 32.1 -38.1 17.6 36 36 A T E -c 94 0A 31 57,-2.8 59,-2.5 -2,-0.4 2,-0.4 -0.905 13.0-153.3-108.1 132.2 30.3 -34.9 16.7 37 37 A R E +c 95 0A 133 -2,-0.4 2,-0.3 57,-0.2 59,-0.2 -0.891 18.7 171.5-106.2 141.3 30.9 -33.1 13.4 38 38 A T E -c 96 0A 13 57,-2.1 59,-2.4 -2,-0.4 2,-0.3 -0.901 17.4-154.5-140.1 168.0 30.5 -29.4 12.8 39 39 A R E -c 97 0A 98 -2,-0.3 59,-0.2 57,-0.2 60,-0.1 -0.994 26.3-100.6-144.1 152.4 31.1 -26.7 10.2 40 40 A E S S+ 0 0 3 57,-2.5 2,-0.1 -2,-0.3 3,-0.1 -0.956 100.9 25.4-135.0 143.9 31.6 -23.0 10.4 41 41 A P S S+ 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.634 130.7 30.3 -68.7 138.9 30.0 -20.6 9.9 42 42 A G + 0 0 0 33,-0.1 37,-0.1 30,-0.1 3,-0.1 -0.976 40.0 129.9 147.0-161.4 27.1 -22.9 10.8 43 43 A G S S+ 0 0 32 -2,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.390 78.0 60.9 91.0 -6.3 26.2 -25.9 12.9 44 44 A T S > S- 0 0 16 1,-0.1 4,-3.0 39,-0.0 5,-0.3 -0.936 93.2-104.8-140.7 160.7 23.1 -24.5 14.6 45 45 A L H > S+ 0 0 112 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.951 124.0 39.6 -52.1 -52.9 19.8 -23.2 13.2 46 46 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 113.8 53.8 -66.4 -41.5 20.8 -19.6 13.8 47 47 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.1 51.2 -59.3 -39.8 24.4 -20.2 12.8 48 48 A E H X S+ 0 0 60 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.886 107.8 52.2 -65.7 -38.6 23.2 -21.7 9.4 49 49 A K H X S+ 0 0 101 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.899 110.0 49.1 -63.3 -39.5 21.1 -18.6 8.9 50 50 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 106.5 56.0 -67.1 -40.5 24.1 -16.4 9.5 51 51 A R H X S+ 0 0 38 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.958 107.3 49.4 -52.7 -51.4 26.2 -18.5 7.0 52 52 A A H X S+ 0 0 52 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.902 109.3 51.9 -57.1 -42.7 23.6 -17.8 4.3 53 53 A L H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.908 112.8 46.3 -60.1 -40.9 23.7 -14.1 5.1 54 54 A V H < S+ 0 0 5 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.2 46.8 -69.6 -38.5 27.5 -14.2 4.7 55 55 A K H < S+ 0 0 69 -4,-2.6 100,-2.7 -5,-0.2 -1,-0.2 0.756 102.7 79.0 -76.7 -24.2 27.6 -16.2 1.5 56 56 A E S < S- 0 0 86 -4,-1.8 2,-0.2 -5,-0.2 98,-0.1 -0.459 78.4-123.6 -84.8 160.7 24.9 -14.0 -0.3 57 57 A E - 0 0 113 -2,-0.1 5,-0.1 5,-0.0 -1,-0.1 -0.572 25.8-136.4 -89.9 157.9 25.3 -10.6 -2.0 58 58 A H > - 0 0 19 3,-0.5 3,-1.2 -2,-0.2 2,-0.3 -0.975 15.3-128.1-125.1 120.0 22.9 -8.0 -0.6 59 59 A P T 3 S+ 0 0 101 0, 0.0 193,-0.2 0, 0.0 3,-0.1 -0.526 90.1 7.0 -76.1 130.4 21.0 -5.7 -3.1 60 60 A G T 3 S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 192,-0.2 0.744 118.9 92.5 74.5 26.0 21.3 -1.9 -2.5 61 61 A E < - 0 0 22 -3,-1.2 2,-0.5 190,-0.1 -3,-0.5 -0.856 65.8-145.0-160.4 125.9 23.7 -2.7 0.3 62 62 A E - 0 0 125 -2,-0.3 2,-0.9 223,-0.1 226,-0.1 -0.712 24.8-135.7 -86.3 121.0 27.5 -3.0 0.7 63 63 A L - 0 0 20 -2,-0.5 -1,-0.0 -5,-0.1 -2,-0.0 -0.683 25.9-136.6 -81.0 108.9 28.4 -5.6 3.3 64 64 A Q > - 0 0 34 -2,-0.9 4,-2.5 1,-0.1 5,-0.2 -0.318 10.3-123.3 -67.0 149.4 31.1 -4.0 5.4 65 65 A D H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 112.9 50.7 -59.5 -47.5 34.2 -5.9 6.4 66 66 A I H > S+ 0 0 35 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.944 109.1 52.8 -58.4 -41.1 33.6 -5.4 10.1 67 67 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.945 106.5 53.0 -55.7 -49.5 30.0 -6.6 9.7 68 68 A E H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.931 111.4 46.0 -49.3 -50.0 31.3 -9.7 8.0 69 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 110.6 52.6 -63.6 -40.5 33.6 -10.4 10.9 70 70 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 -1,-0.2 0.947 110.9 48.7 -62.4 -41.4 30.9 -9.7 13.5 71 71 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.904 109.6 48.1 -68.1 -42.2 28.6 -12.2 11.7 72 72 A V H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.894 114.9 49.9 -66.1 -34.2 31.1 -15.1 11.4 73 73 A Y H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.933 107.2 51.4 -69.9 -42.4 31.8 -14.5 15.1 74 74 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.928 113.0 47.2 -58.2 -47.3 28.1 -14.5 16.2 75 75 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.922 110.8 53.0 -61.8 -36.4 27.8 -17.8 14.3 76 76 A R H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.923 105.8 52.3 -66.2 -41.7 31.0 -19.0 16.0 77 77 A V H X S+ 0 0 4 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.887 107.8 52.4 -60.3 -40.2 29.7 -18.2 19.5 78 78 A Q H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.4 0.924 113.0 43.7 -63.3 -43.7 26.5 -20.1 18.9 79 79 A L H X>S+ 0 0 0 -4,-1.9 5,-2.7 2,-0.2 4,-2.3 0.931 115.0 47.1 -68.4 -49.1 28.4 -23.2 17.8 80 80 A V H <>S+ 0 0 1 -4,-2.7 5,-2.9 3,-0.2 -2,-0.2 0.949 119.2 39.4 -60.7 -47.1 31.0 -23.2 20.5 81 81 A E H <5S+ 0 0 59 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.860 125.4 33.2 -74.9 -32.3 28.5 -22.6 23.3 82 82 A N H <5S+ 0 0 41 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.742 135.7 9.0 -97.6 -22.9 25.7 -24.8 22.2 83 83 A V T X5S+ 0 0 39 -4,-2.3 4,-1.6 -5,-0.4 -3,-0.2 0.747 123.3 44.5-123.3 -49.5 27.4 -27.7 20.5 84 84 A I H > S+ 0 0 46 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.885 110.5 50.8 -66.3 -34.8 28.9 -29.4 25.7 87 87 A A H ><>S+ 0 0 1 -4,-1.6 5,-2.5 2,-0.2 3,-0.7 0.971 112.1 46.5 -64.5 -50.2 30.2 -32.2 23.5 88 88 A L H ><5S+ 0 0 39 -4,-2.6 3,-1.6 1,-0.3 -85,-0.3 0.906 109.7 54.6 -59.5 -40.1 33.7 -31.9 24.9 89 89 A A H 3<5S+ 0 0 93 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.790 107.9 50.8 -62.8 -29.7 32.3 -31.7 28.5 90 90 A R T <<5S- 0 0 153 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.362 124.7-101.1 -88.9 4.3 30.4 -35.0 27.9 91 91 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.5 -4,-0.3 -3,-0.2 0.627 78.9 136.2 85.5 11.2 33.6 -36.8 26.6 92 92 A E < - 0 0 39 -5,-2.5 -1,-0.3 -6,-0.2 -57,-0.2 -0.838 50.3-133.5 -93.0 136.4 32.6 -36.5 22.9 93 93 A W E - c 0 35A 11 -59,-1.6 -57,-2.8 -2,-0.5 2,-0.4 -0.532 16.5-144.6 -83.0 152.1 35.2 -35.5 20.5 94 94 A V E -ac 5 36A 0 -90,-2.2 -88,-2.9 -59,-0.2 2,-0.6 -0.974 11.5-168.2-123.6 128.9 34.4 -32.8 17.9 95 95 A V E -ac 6 37A 0 -59,-2.5 -57,-2.1 -2,-0.4 2,-0.3 -0.972 19.9-167.0-115.1 114.4 35.7 -32.7 14.4 96 96 A G E -ac 7 38A 0 -90,-2.6 -88,-2.7 -2,-0.6 2,-0.9 -0.847 28.2-138.9-113.1 146.9 35.1 -29.3 12.7 97 97 A D E S-ac 8 39A 39 -59,-2.4 -57,-2.5 -2,-0.3 -88,-0.2 -0.861 85.2 -20.3 -99.8 96.4 35.2 -27.9 9.2 98 98 A R + 0 0 24 -90,-2.6 2,-0.2 -2,-0.9 -1,-0.2 0.423 65.9 177.1 74.7 152.2 36.8 -24.5 9.9 99 99 A H >> - 0 0 2 -3,-0.1 3,-1.8 -92,-0.1 4,-0.5 -0.682 60.8 -37.9-154.8-151.0 37.1 -22.6 13.1 100 100 A D H >> S+ 0 0 10 1,-0.3 4,-1.7 -2,-0.2 3,-0.5 0.707 121.7 73.3 -61.3 -23.5 38.7 -19.3 14.2 101 101 A M H 3> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.840 91.9 60.2 -62.1 -29.5 41.8 -19.9 12.0 102 102 A S H <>>S+ 0 0 10 -3,-1.8 4,-2.9 1,-0.2 5,-0.5 0.889 102.4 49.7 -63.0 -40.4 39.5 -19.1 9.0 103 103 A S H S+ 0 0 1 -4,-0.5 5,-2.2 -3,-0.5 4,-0.8 0.889 109.4 52.6 -65.2 -37.3 38.7 -15.6 10.4 104 104 A Q H <>S+ 0 0 26 -4,-1.7 5,-2.1 3,-0.2 -2,-0.2 0.938 119.3 34.4 -62.0 -44.4 42.4 -14.9 10.8 105 105 A A H <>S+ 0 0 0 -4,-2.1 5,-2.7 3,-0.2 -2,-0.2 0.950 128.6 32.9 -76.9 -52.6 43.2 -15.9 7.2 106 106 A Y H <>S+ 0 0 15 -4,-2.9 5,-1.5 3,-0.2 -3,-0.2 0.966 134.3 25.1 -71.7 -55.1 40.0 -14.6 5.4 107 107 A Q T < - 0 0 45 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.077 30.0-131.9 -44.8 135.3 43.7 -4.5 11.8 115 115 A P H > S+ 0 0 94 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.836 107.1 59.2 -60.9 -30.9 45.3 -7.3 13.8 116 116 A S H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.878 106.0 48.1 -65.2 -37.0 44.4 -5.4 17.1 117 117 A T H > S+ 0 0 22 -3,-0.3 4,-2.1 2,-0.2 5,-0.3 0.917 110.9 51.1 -66.6 -45.5 40.7 -5.6 16.1 118 118 A M H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.979 111.5 48.2 -54.5 -57.3 41.1 -9.3 15.3 119 119 A Q H X S+ 0 0 149 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.857 113.3 44.3 -52.6 -46.2 42.7 -9.9 18.7 120 120 A S H X S+ 0 0 40 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.882 114.0 48.9 -74.7 -31.3 40.1 -8.1 20.8 121 121 A L H X S+ 0 0 3 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.903 111.0 50.6 -73.5 -40.8 37.1 -9.5 19.0 122 122 A K H X>S+ 0 0 85 -4,-2.7 4,-2.6 -5,-0.3 5,-0.7 0.942 112.0 50.2 -58.8 -41.5 38.5 -13.0 19.4 123 123 A Q H X5S+ 0 0 109 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.977 112.4 44.2 -59.6 -57.1 39.0 -12.1 23.1 124 124 A T H <5S+ 0 0 28 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.902 122.6 36.9 -56.8 -42.7 35.4 -10.9 23.6 125 125 A A H <5S+ 0 0 11 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.868 136.1 13.7 -80.7 -40.4 33.7 -13.8 21.6 126 126 A L H ><5S- 0 0 11 -4,-2.6 3,-2.0 -5,-0.4 -3,-0.2 0.597 74.4-165.7-114.3 -11.0 35.9 -16.7 22.6 127 127 A G T 3< - 0 0 74 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.426 40.1-126.5 -60.9 131.8 47.9 -23.2 -4.3 141 141 A P H > S+ 0 0 5 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.889 107.1 44.1 -52.9 -48.0 45.0 -20.7 -4.6 142 142 A K H > S+ 0 0 133 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.937 113.6 50.9 -64.9 -44.6 44.4 -21.3 -8.4 143 143 A L H > S+ 0 0 78 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.962 112.8 49.0 -56.0 -47.5 44.7 -25.1 -8.0 144 144 A G H >X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 3,-0.8 0.877 109.7 47.9 -58.8 -45.0 42.2 -24.8 -5.1 145 145 A L H 3< S+ 0 0 56 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.855 111.9 52.5 -65.9 -32.1 39.6 -22.7 -7.0 146 146 A E H 3< S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.526 109.5 48.2 -82.8 -6.8 39.9 -25.1 -9.9 147 147 A R H << S+ 0 0 110 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.565 103.1 62.1 -99.4 -16.9 39.2 -28.1 -7.6 148 148 A A S < S+ 0 0 42 -4,-1.0 -2,-0.2 -136,-0.2 -3,-0.1 0.545 78.1 120.9 -84.3 -12.0 36.2 -26.5 -6.0 149 149 A R 0 0 189 -4,-0.4 -3,-0.0 1,-0.2 -136,-0.0 -0.110 360.0 360.0 -48.7 153.7 34.5 -26.4 -9.4 150 150 A G 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.602 360.0 360.0 81.4 360.0 31.2 -28.3 -9.6 151 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 152 153 A E 0 0 211 0, 0.0 2,-0.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 131.2 28.4 -21.4 -7.9 153 154 A L - 0 0 91 4,-0.1 5,-0.1 3,-0.1 -4,-0.0 -0.440 360.0-142.7 -67.7 123.5 30.9 -19.0 -6.4 154 155 A D > - 0 0 25 -2,-0.3 4,-0.8 1,-0.1 -98,-0.2 -0.201 38.0 -82.2 -78.0 178.8 29.6 -17.3 -3.2 155 156 A R T >4 S+ 0 0 29 -100,-2.7 3,-0.5 1,-0.2 4,-0.1 0.852 133.3 42.6 -52.1 -40.6 30.3 -13.6 -2.3 156 157 A I G >4 S+ 0 0 20 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.922 108.5 57.9 -73.1 -40.1 33.7 -14.4 -0.8 157 158 A E G 34 S+ 0 0 32 1,-0.3 -1,-0.2 -102,-0.1 -2,-0.2 0.540 97.1 65.5 -68.7 -5.6 34.7 -16.9 -3.7 158 159 A K G << S+ 0 0 111 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.475 78.6 110.6 -93.3 -4.2 34.1 -14.0 -6.2 159 160 A M S < S- 0 0 62 -3,-2.0 5,-0.1 1,-0.1 -3,-0.0 -0.265 79.0 -93.3 -65.2 155.6 37.1 -12.0 -4.7 160 161 A D >> - 0 0 88 1,-0.1 3,-1.2 3,-0.1 4,-0.7 -0.186 38.9-101.1 -68.6 164.4 40.3 -11.6 -6.8 161 162 A I H >> S+ 0 0 75 1,-0.3 4,-1.9 2,-0.2 3,-1.5 0.878 116.6 64.2 -55.5 -44.7 43.2 -14.0 -6.5 162 163 A S H 3> S+ 0 0 32 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.786 95.2 63.2 -52.9 -29.7 45.4 -11.8 -4.3 163 164 A F H <> S+ 0 0 0 -3,-1.2 4,-1.5 2,-0.2 -1,-0.3 0.883 106.2 42.4 -60.7 -41.8 42.7 -12.1 -1.6 164 165 A F H < - 0 0 51 -4,-1.2 3,-1.7 1,-0.1 -1,-0.1 -0.936 59.6-162.5-119.4 116.6 51.7 -22.9 16.4 179 180 A D T 3 S+ 0 0 157 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.699 92.9 63.6 -66.0 -20.1 52.7 -26.4 17.5 180 181 A S T 3 S+ 0 0 21 -47,-0.1 -46,-2.3 -49,-0.0 2,-0.5 0.424 94.1 78.4 -84.1 3.7 49.0 -27.4 17.8 181 182 A V E < -d 134 0A 9 -3,-1.7 2,-0.4 -6,-0.2 -46,-0.2 -0.965 61.2-173.5-115.4 126.3 48.8 -26.8 14.0 182 183 A V E -d 135 0A 54 -48,-2.3 -46,-2.2 -2,-0.5 2,-0.4 -0.957 16.9-135.9-119.2 136.7 50.2 -29.3 11.5 183 184 A M E -d 136 0A 86 -2,-0.4 2,-0.4 -48,-0.2 -46,-0.2 -0.732 13.1-164.6 -98.8 138.7 50.3 -28.7 7.8 184 185 A I E -d 137 0A 5 -48,-2.7 -46,-2.5 -2,-0.4 2,-0.9 -0.962 24.2-127.9-119.0 132.6 49.3 -31.1 5.1 185 186 A D E > -d 138 0A 86 -2,-0.4 3,-0.5 -48,-0.2 -46,-0.1 -0.724 27.6-174.6 -79.4 111.0 50.4 -30.6 1.5 186 187 A A T 3 + 0 0 1 -48,-2.3 -47,-0.2 -2,-0.9 -1,-0.2 0.590 66.5 78.7 -87.7 -10.1 46.9 -30.9 -0.1 187 188 A A T 3 S+ 0 0 49 -49,-0.5 -1,-0.2 -3,-0.1 2,-0.1 0.169 78.0 92.9 -83.0 17.7 48.1 -30.8 -3.8 188 189 A Q S < S- 0 0 43 -3,-0.5 2,-0.1 1,-0.2 5,-0.0 -0.386 89.2 -76.5 -94.5-178.7 49.1 -34.5 -3.7 189 190 A S >> - 0 0 45 -2,-0.1 4,-2.3 1,-0.1 3,-1.0 -0.402 44.8-101.3 -77.8 158.9 46.9 -37.4 -4.7 190 191 A I H 3> S+ 0 0 90 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.792 120.5 54.1 -48.8 -41.2 44.1 -38.8 -2.5 191 192 A E H 3> S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.860 114.5 42.0 -64.0 -35.3 46.2 -41.8 -1.2 192 193 A Q H <> S+ 0 0 90 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.805 111.1 50.3 -83.5 -35.9 48.9 -39.4 -0.1 193 194 A V H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.942 114.4 50.1 -65.1 -43.9 46.9 -36.7 1.5 194 195 A T H X S+ 0 0 31 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.872 109.3 49.8 -57.5 -41.6 45.1 -39.5 3.3 195 196 A A H X S+ 0 0 46 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.900 111.2 48.2 -68.6 -42.5 48.4 -41.0 4.5 196 197 A D H X S+ 0 0 33 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.803 115.2 44.7 -68.8 -33.1 49.8 -37.7 5.8 197 198 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.961 115.2 46.9 -73.2 -48.1 46.6 -36.9 7.7 198 199 A R H X S+ 0 0 64 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.829 117.2 45.4 -62.7 -33.8 46.2 -40.4 9.1 199 200 A R H X S+ 0 0 145 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.894 111.5 49.5 -79.5 -40.6 50.0 -40.3 10.1 200 201 A A H X S+ 0 0 18 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.855 116.8 43.7 -69.8 -27.8 50.0 -36.8 11.6 201 202 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.917 112.3 48.4 -81.5 -44.1 46.9 -37.7 13.7 202 203 A Q H X S+ 0 0 73 -4,-1.7 4,-2.3 -5,-0.2 5,-0.2 0.954 115.6 49.4 -59.0 -48.0 48.0 -41.2 14.9 203 204 A D H X S+ 0 0 101 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.933 110.7 47.7 -48.1 -56.4 51.2 -39.6 15.8 204 205 A W H < S+ 0 0 44 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.859 109.3 54.0 -60.3 -41.4 49.5 -36.7 17.7 205 206 A L H < S+ 0 0 15 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.942 105.0 53.0 -58.5 -51.0 47.3 -39.1 19.6 206 207 A S H < 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.687 360.0 360.0 -59.5 -23.5 50.2 -41.2 20.9 207 208 A Q < 0 0 183 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.992 360.0 360.0 -67.5 360.0 51.9 -38.1 22.2 208 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 209 2 B N 0 0 172 0, 0.0 86,-0.0 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 97.3 25.6 21.4 9.0 210 3 B A - 0 0 24 85,-0.3 2,-0.3 90,-0.1 90,-0.1 -0.216 360.0-162.0 -60.8 140.3 23.7 18.1 9.1 211 4 B K - 0 0 41 87,-0.1 90,-2.5 2,-0.0 2,-0.6 -0.898 16.5-136.0-125.4 158.2 23.1 16.6 12.5 212 5 B F E -e 301 0B 0 -2,-0.3 127,-2.1 88,-0.2 128,-1.5 -0.963 23.3-172.1-117.5 113.1 22.1 13.1 13.7 213 6 B I E -ef 302 340B 0 88,-3.2 90,-2.2 -2,-0.6 2,-0.4 -0.928 3.8-162.1-110.2 130.4 19.4 13.1 16.4 214 7 B V E -ef 303 341B 1 126,-2.0 128,-2.8 -2,-0.5 2,-0.5 -0.883 10.3-150.5-116.3 138.9 18.5 10.0 18.3 215 8 B I E -ef 304 342B 0 88,-2.7 90,-1.8 -2,-0.4 2,-0.3 -0.942 25.4-179.8-106.1 126.2 15.4 9.2 20.3 216 9 B E E + f 0 343B 1 126,-3.5 128,-3.3 -2,-0.5 2,-0.2 -0.779 16.9 111.7-123.8 164.8 16.0 6.7 23.1 217 10 B G - 0 0 0 -2,-0.3 128,-0.1 126,-0.2 3,-0.1 -0.726 65.7 -62.3 151.4 161.9 14.0 4.9 25.8 218 11 B L S > S- 0 0 4 126,-0.5 3,-1.8 -2,-0.2 4,-0.2 -0.341 74.1 -83.6 -61.0 155.6 12.6 1.6 27.0 219 12 B E T 3 S+ 0 0 49 1,-0.3 136,-0.3 2,-0.1 -1,-0.1 -0.415 121.6 34.8 -65.4 138.2 10.1 0.2 24.5 220 13 B G T 3 S+ 0 0 16 134,-0.2 -1,-0.3 135,-0.1 -2,-0.1 0.384 81.2 111.3 97.9 -1.6 6.8 1.7 25.2 221 14 B A S < S- 0 0 4 -3,-1.8 -2,-0.1 125,-0.1 -3,-0.1 0.699 96.2-100.4 -76.6 -18.1 8.2 5.1 26.2 222 15 B G > + 0 0 28 -4,-0.2 4,-0.7 129,-0.1 -3,-0.1 0.802 64.4 155.8 103.5 44.4 6.7 6.6 23.0 223 16 B K H >> + 0 0 7 1,-0.2 4,-1.8 2,-0.2 3,-0.9 0.920 66.0 57.0 -69.2 -48.2 9.5 6.8 20.5 224 17 B S H 3> S+ 0 0 44 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.884 110.7 44.1 -52.1 -48.6 7.7 6.8 17.1 225 18 B T H 3> S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.659 109.5 57.3 -73.6 -16.7 5.5 9.8 18.0 226 19 B A H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 3,-0.7 0.925 109.8 47.2 -64.5 -43.1 10.0 20.8 14.6 234 27 B L H 3<>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.3 -1,-0.2 0.865 108.7 56.6 -64.4 -36.0 13.0 20.6 12.3 235 28 B Q H ><5S+ 0 0 121 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.738 105.1 51.0 -66.4 -25.1 10.7 21.3 9.4 236 29 B Q H <<5S+ 0 0 123 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.811 105.3 55.9 -82.2 -30.2 9.6 24.6 11.1 237 30 B N T 3<5S- 0 0 69 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.136 126.9 -97.8 -87.5 20.1 13.1 25.7 11.6 238 31 B G T < 5S+ 0 0 49 -3,-0.6 2,-0.9 1,-0.2 -3,-0.2 0.752 72.1 148.6 74.1 26.6 13.8 25.3 7.8 239 32 B I < - 0 0 19 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.854 22.5-177.0 -97.3 106.6 15.5 21.9 7.8 240 33 B D + 0 0 126 -2,-0.9 2,-0.5 1,-0.1 -1,-0.2 0.923 56.5 44.1 -68.4 -56.1 14.4 20.6 4.4 241 34 B H + 0 0 121 57,-0.2 59,-1.8 2,-0.0 2,-0.4 -0.858 61.2 169.1-109.6 121.7 15.7 17.1 4.0 242 35 B I E -g 300 0B 34 -2,-0.5 2,-0.4 57,-0.2 59,-0.2 -0.992 20.2-152.2-134.4 135.5 15.5 14.5 6.8 243 36 B T E -g 301 0B 32 57,-2.7 59,-2.6 -2,-0.4 2,-0.4 -0.885 13.5-149.2-104.5 134.6 16.2 10.7 6.8 244 37 B R E +g 302 0B 128 -2,-0.4 2,-0.3 57,-0.2 59,-0.2 -0.844 21.8 171.3-104.0 136.6 14.3 8.5 9.4 245 38 B T E -g 303 0B 13 57,-1.7 59,-3.0 -2,-0.4 2,-0.3 -0.976 17.0-161.7-141.9 159.8 15.9 5.3 10.7 246 39 B R E -g 304 0B 96 -2,-0.3 59,-0.2 57,-0.2 60,-0.0 -0.960 29.3 -93.6-138.3 152.4 15.4 2.7 13.4 247 40 B E S S+ 0 0 4 57,-2.4 2,-0.1 -2,-0.3 3,-0.1 -0.960 100.0 21.8-129.4 148.6 17.7 0.1 15.0 248 41 B P S S+ 0 0 23 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.696 129.1 34.4 -71.0 151.4 18.5 -2.6 14.6 249 42 B G + 0 0 1 30,-0.1 37,-0.1 -2,-0.1 5,-0.1 -0.967 40.0 129.6 143.9-156.3 17.3 -2.2 11.1 250 43 B G S S+ 0 0 32 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.456 78.4 58.8 83.9 -3.8 17.2 0.4 8.4 251 44 B T S > S- 0 0 18 1,-0.1 4,-2.8 -190,-0.0 5,-0.3 -0.955 93.4-105.0-143.6 165.1 18.7 -1.7 5.6 252 45 B L H > S+ 0 0 108 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.944 124.1 41.8 -58.4 -45.4 17.7 -5.0 4.0 253 46 B L H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 113.8 52.5 -66.4 -41.0 20.5 -6.8 5.9 254 47 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 108.2 51.6 -61.5 -39.5 19.8 -4.9 9.2 255 48 B E H X S+ 0 0 63 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.903 107.5 50.8 -66.6 -42.6 16.2 -5.8 9.0 256 49 B K H X S+ 0 0 94 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.900 111.4 50.2 -62.9 -33.1 17.0 -9.5 8.6 257 50 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.910 106.0 55.6 -71.4 -38.9 19.3 -9.1 11.7 258 51 B R H X S+ 0 0 44 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.904 107.4 48.8 -53.7 -48.8 16.4 -7.4 13.6 259 52 B A H X S+ 0 0 43 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.935 110.1 51.4 -60.6 -46.0 14.1 -10.4 13.0 260 53 B L H < S+ 0 0 14 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 115.8 42.1 -57.7 -40.8 16.9 -12.8 14.2 261 54 B V H < S+ 0 0 8 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.901 119.1 43.3 -72.3 -41.7 17.3 -10.7 17.4 262 55 B K H < S+ 0 0 60 -4,-3.3 101,-2.3 -5,-0.2 -2,-0.2 0.829 101.4 82.5 -75.2 -32.1 13.5 -10.1 18.0 263 56 B E S < S- 0 0 97 -4,-2.9 99,-0.0 -5,-0.2 2,-0.0 -0.289 81.1-114.4 -74.1 158.5 12.4 -13.7 17.3 264 57 B E - 0 0 83 99,-0.0 -1,-0.1 -2,-0.0 -2,-0.0 -0.239 20.7-148.7 -77.3 174.4 12.5 -16.7 19.6 265 58 B H > - 0 0 20 3,-0.1 3,-2.1 -2,-0.0 -219,-0.1 -0.305 12.0-173.1-145.7 58.1 14.8 -19.5 18.8 266 59 B P T 3 S+ 0 0 114 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.268 75.5 46.1 -51.7 147.3 13.5 -22.9 20.0 267 60 B G T 3 S+ 0 0 81 -222,-0.1 2,-0.3 -223,-0.0 -222,-0.0 -0.157 117.9 30.1 110.1 -35.3 16.3 -25.5 19.3 268 61 B E S < S- 0 0 27 -3,-2.1 2,-0.4 -224,-0.1 -3,-0.1 -0.997 77.8-110.1-154.1 156.4 19.1 -23.3 20.8 269 62 B E - 0 0 132 -2,-0.3 2,-0.8 -191,-0.1 -187,-0.1 -0.697 28.1-135.0 -87.9 131.7 19.9 -20.7 23.3 270 63 B L - 0 0 17 -2,-0.4 2,-0.1 -9,-0.0 -5,-0.0 -0.818 27.5-136.5 -90.5 113.4 20.9 -17.3 21.9 271 64 B Q > - 0 0 40 -2,-0.8 4,-2.2 1,-0.1 3,-0.2 -0.338 12.8-120.4 -72.5 149.4 23.9 -16.2 23.9 272 65 B D H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.903 114.2 52.3 -57.2 -42.7 24.2 -12.7 25.2 273 66 B I H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.878 107.6 52.9 -62.5 -35.3 27.5 -12.1 23.3 274 67 B T H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.957 108.6 49.9 -64.2 -47.1 25.8 -13.2 20.0 275 68 B E H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.930 111.0 49.5 -56.9 -45.4 23.0 -10.7 20.6 276 69 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.2 0.952 111.6 47.9 -59.0 -50.3 25.5 -8.0 21.2 277 70 B L H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.820 110.4 53.0 -62.1 -35.6 27.4 -8.8 18.0 278 71 B L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 109.1 47.0 -70.0 -41.1 24.1 -9.0 16.0 279 72 B V H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.887 115.0 47.2 -69.3 -35.5 22.9 -5.5 17.0 280 73 B Y H X S+ 0 0 0 -4,-2.1 4,-3.2 -5,-0.2 5,-0.2 0.889 110.0 53.4 -69.6 -34.0 26.4 -4.0 16.3 281 74 B A H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.931 111.1 45.9 -63.1 -46.0 26.4 -5.8 12.9 282 75 B A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.888 113.9 51.1 -62.4 -37.8 23.1 -4.2 12.1 283 76 B R H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.920 104.5 53.6 -68.5 -46.1 24.5 -0.9 13.3 284 77 B V H X S+ 0 0 4 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.932 110.4 49.5 -56.0 -44.2 27.7 -1.0 11.2 285 78 B Q H X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 5,-0.4 0.923 113.8 44.6 -59.8 -45.6 25.5 -1.5 8.1 286 79 B L H X>S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-2.0 0.909 114.8 47.3 -66.7 -47.3 23.2 1.3 8.9 287 80 B V H <>S+ 0 0 0 -4,-2.8 5,-2.2 3,-0.2 -1,-0.2 0.880 118.4 39.9 -62.4 -41.7 25.9 3.8 9.9 288 81 B E H <5S+ 0 0 60 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.853 125.3 32.7 -81.4 -35.6 28.1 3.2 6.9 289 82 B N H <5S+ 0 0 37 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.739 135.4 12.9 -94.2 -23.0 25.4 2.8 4.2 290 83 B V T X5S+ 0 0 38 -4,-2.1 4,-1.7 -5,-0.4 -3,-0.2 0.800 120.8 43.8-122.4 -44.6 22.8 5.3 5.4 291 84 B I H > S+ 0 0 41 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.949 112.1 47.3 -64.4 -38.1 26.2 9.0 3.5 294 87 B A H <>S+ 0 0 0 -4,-1.7 5,-2.4 -3,-0.2 -2,-0.2 0.853 111.5 50.8 -64.7 -36.7 23.0 11.1 4.3 295 88 B L H ><5S+ 0 0 37 -4,-2.4 3,-1.6 1,-0.2 -85,-0.3 0.902 106.2 55.4 -69.0 -38.2 24.9 13.4 6.5 296 89 B A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.780 102.8 56.7 -62.4 -29.1 27.5 14.0 3.8 297 90 B R T 3<5S- 0 0 161 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.467 125.8-100.0 -81.8 -2.4 24.7 15.0 1.5 298 91 B G T < 5S+ 0 0 48 -3,-1.6 2,-0.4 1,-0.3 -57,-0.2 0.516 79.5 138.7 94.4 9.6 23.6 17.8 3.9 299 92 B E < - 0 0 37 -5,-2.4 -1,-0.3 -6,-0.2 -57,-0.2 -0.734 48.4-134.4 -96.1 140.2 20.7 15.7 5.3 300 93 B W E - g 0 242B 37 -59,-1.8 -57,-2.7 -2,-0.4 2,-0.4 -0.479 19.8-147.0 -84.0 149.6 19.7 15.5 9.0 301 94 B V E -eg 212 243B 0 -90,-2.5 -88,-3.2 -59,-0.2 2,-0.5 -0.979 13.0-169.6-127.1 133.8 19.0 12.1 10.4 302 95 B V E -eg 213 244B 0 -59,-2.6 -57,-1.7 -2,-0.4 2,-0.3 -0.959 17.9-169.9-122.8 112.4 16.5 11.2 13.1 303 96 B G E -eg 214 245B 0 -90,-2.2 -88,-2.7 -2,-0.5 2,-1.0 -0.803 27.9-135.0-111.9 144.3 16.8 7.6 14.4 304 97 B D E S-eg 215 246B 28 -59,-3.0 -57,-2.4 -2,-0.3 -88,-0.1 -0.848 86.0 -15.4 -91.9 92.3 14.7 5.3 16.7 305 98 B R + 0 0 19 -90,-1.8 2,-0.2 -2,-1.0 -1,-0.1 0.380 66.9 174.7 86.7 145.7 17.6 3.9 18.9 306 99 B H >> - 0 0 3 -3,-0.1 3,-1.4 -92,-0.1 4,-0.7 -0.661 58.1 -38.6-154.2-146.5 21.3 3.9 18.5 307 100 B D H >> S+ 0 0 9 1,-0.3 4,-2.2 -2,-0.2 3,-0.7 0.780 122.6 68.7 -64.4 -29.7 24.4 2.8 20.6 308 101 B M H 3> S+ 0 0 18 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.867 94.9 60.4 -58.2 -32.1 23.0 4.0 23.9 309 102 B S H <> S+ 0 0 8 -3,-1.4 4,-2.7 2,-0.2 5,-0.5 0.832 102.6 49.5 -62.1 -38.8 20.5 1.1 23.5 310 103 B S H S+ 0 0 1 -3,-0.7 5,-2.0 -4,-0.7 4,-1.8 0.936 111.9 49.9 -67.2 -41.7 23.3 -1.4 23.4 311 104 B Q H <>S+ 0 0 37 -4,-2.2 5,-1.7 3,-0.2 -2,-0.2 0.918 117.3 39.9 -60.8 -39.9 24.7 0.2 26.5 312 105 B A H <>S+ 0 0 0 -4,-2.6 5,-2.1 3,-0.2 4,-0.5 0.978 128.3 28.7 -74.3 -51.6 21.4 0.1 28.3 313 106 B Y H <>S+ 0 0 21 -4,-2.7 5,-2.6 3,-0.2 6,-0.2 0.925 132.0 29.6 -78.1 -51.2 20.2 -3.3 27.2 314 107 B Q T <5S+ 0 0 7 -4,-1.8 6,-1.8 -5,-0.5 -3,-0.2 0.879 131.0 38.0 -78.5 -39.1 23.4 -5.4 26.6 315 108 B G T > - 0 0 46 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.186 21.6-118.8 -61.2 148.9 30.9 -5.2 31.3 322 115 B P H 3> S+ 0 0 79 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.824 112.3 55.2 -56.6 -36.0 31.6 -1.6 30.3 323 116 B S H 3> S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.837 107.9 48.4 -71.7 -27.9 35.0 -2.3 28.9 324 117 B T H <> S+ 0 0 36 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.954 115.1 45.5 -73.2 -44.0 33.7 -5.0 26.7 325 118 B M H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.944 112.8 51.2 -62.0 -46.0 30.9 -2.6 25.5 326 119 B Q H X S+ 0 0 137 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.848 111.7 45.0 -62.1 -37.0 33.4 0.2 25.1 327 120 B S H X S+ 0 0 44 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.839 113.2 49.5 -80.8 -32.1 36.0 -1.9 22.9 328 121 B L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.908 110.2 53.2 -70.7 -35.2 33.3 -3.3 20.7 329 122 B K H X>S+ 0 0 76 -4,-2.6 4,-2.9 -5,-0.3 5,-0.5 0.922 110.4 46.4 -59.5 -44.7 31.9 0.3 20.3 330 123 B Q H X5S+ 0 0 128 -4,-1.7 4,-2.1 3,-0.2 -2,-0.2 0.967 113.3 49.0 -64.4 -49.5 35.4 1.5 19.2 331 124 B T H <5S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 121.8 33.7 -55.7 -43.9 35.9 -1.5 16.8 332 125 B A H <5S+ 0 0 7 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.875 136.5 13.8 -84.0 -42.3 32.4 -1.0 15.1 333 126 B L H ><5S- 0 0 7 -4,-2.9 3,-2.1 -5,-0.3 -3,-0.2 0.457 76.7-155.6-118.3 -4.9 31.9 2.8 15.2 334 127 B G T 3< - 0 0 76 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.361 38.5-128.0 -58.7 133.0 8.8 3.2 34.5 348 141 B P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 106.2 49.7 -52.0 -50.3 9.6 -0.3 33.2 349 142 B K H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.962 114.0 45.3 -55.4 -53.5 6.2 -1.8 34.2 350 143 B L H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 109.8 57.9 -57.2 -40.4 4.3 1.0 32.5 351 144 B G H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.926 110.2 41.3 -56.3 -48.9 6.7 0.7 29.5 352 145 B L H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.846 109.2 57.9 -70.2 -36.3 5.8 -3.0 28.9 353 146 B E H X S+ 0 0 123 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.919 111.5 44.8 -61.1 -38.2 2.1 -2.5 29.5 354 147 B R H >X S+ 0 0 97 -4,-2.3 3,-0.7 -5,-0.2 4,-0.6 0.916 109.1 54.1 -70.8 -44.7 2.2 0.1 26.6 355 148 B A H >X S+ 0 0 8 -4,-2.1 3,-2.6 -136,-0.3 4,-1.3 0.946 102.3 59.2 -53.2 -47.9 4.3 -2.1 24.3 356 149 B R H 3< S+ 0 0 184 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 95.7 64.0 -51.5 -35.6 1.7 -4.9 24.7 357 150 B G H << S+ 0 0 71 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.732 102.3 49.0 -63.3 -23.1 -0.9 -2.5 23.3 358 151 B R H << S- 0 0 200 -3,-2.6 2,-0.3 -4,-0.6 -2,-0.2 0.953 126.8 -67.1 -79.4 -55.5 1.0 -2.4 19.9 359 152 B G S < S- 0 0 39 -4,-1.3 -1,-0.3 1,-0.0 0, 0.0 -0.945 77.1 -24.3-173.9-169.0 1.4 -6.2 19.5 360 153 B E - 0 0 164 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 -0.163 67.1-106.5 -59.2 148.7 3.0 -9.3 21.0 361 154 B L - 0 0 36 1,-0.1 -1,-0.1 4,-0.1 5,-0.1 -0.560 30.9-129.5 -79.9 138.5 6.3 -9.0 22.9 362 155 B D > - 0 0 23 -2,-0.3 4,-0.8 1,-0.1 -99,-0.2 -0.090 37.5 -84.7 -77.8-179.9 9.6 -10.0 21.4 363 156 B R T 4 S+ 0 0 34 -101,-2.3 3,-0.5 1,-0.2 -101,-0.1 0.878 131.1 40.9 -51.8 -44.6 12.3 -12.3 23.0 364 157 B I T >4 S+ 0 0 18 1,-0.2 3,-1.7 -103,-0.2 -1,-0.2 0.831 106.1 60.6 -76.9 -38.0 13.8 -9.4 24.9 365 158 B E T 34 S+ 0 0 21 1,-0.3 -1,-0.2 -103,-0.1 -2,-0.2 0.615 99.3 63.1 -65.4 -10.9 10.5 -7.8 25.9 366 159 B K T 3< S+ 0 0 101 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.283 75.6 116.5 -94.1 2.2 9.8 -11.1 27.8 367 160 B M S < S- 0 0 61 -3,-1.7 5,-0.0 1,-0.1 -3,-0.0 -0.245 78.6 -89.9 -65.8 164.3 12.7 -10.8 30.2 368 161 B D >> - 0 0 79 1,-0.1 3,-1.0 3,-0.0 4,-0.8 -0.233 44.9 -97.5 -69.3 170.1 11.8 -10.4 33.9 369 162 B I H >> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 3,-0.9 0.893 117.3 64.4 -59.5 -43.1 11.3 -6.9 35.3 370 163 B S H 3> S+ 0 0 35 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.792 94.6 61.8 -54.7 -29.7 14.8 -6.5 36.7 371 164 B F H <> S+ 0 0 0 -3,-1.0 4,-1.8 1,-0.2 -1,-0.3 0.938 108.0 42.5 -60.8 -45.4 16.3 -6.6 33.2 372 165 B F H < - 0 0 53 -4,-0.8 3,-1.2 -3,-0.3 -1,-0.1 -0.948 57.9-162.2-123.2 120.4 26.5 13.3 29.0 387 180 B D T 3 S+ 0 0 164 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.685 92.4 60.9 -67.3 -22.5 25.8 16.9 27.9 388 181 B S T 3 S+ 0 0 26 -48,-0.1 -47,-1.4 -50,-0.1 2,-0.4 0.206 93.9 77.9 -91.8 14.2 24.5 15.8 24.4 389 182 B V E < -h 341 0B 10 -3,-1.2 2,-0.4 -6,-0.3 -47,-0.2 -0.985 60.4-172.1-125.1 130.4 21.7 13.7 26.0 390 183 B V E -h 342 0B 55 -49,-2.5 -47,-2.5 -2,-0.4 2,-0.4 -0.992 16.9-133.7-125.4 135.8 18.5 15.4 27.4 391 184 B M E -h 343 0B 98 -2,-0.4 2,-0.4 -49,-0.2 -47,-0.2 -0.763 15.7-168.4 -98.2 135.5 15.9 13.5 29.4 392 185 B I E -h 344 0B 6 -49,-2.9 -47,-2.8 -2,-0.4 2,-0.7 -0.924 25.3-122.6-118.0 141.8 12.1 13.7 28.8 393 186 B D E -h 345 0B 74 -2,-0.4 3,-0.4 -49,-0.2 -47,-0.1 -0.771 23.3-176.3 -87.4 114.9 9.5 12.4 31.2 394 187 B A S S+ 0 0 0 -49,-2.7 -48,-0.2 -2,-0.7 -1,-0.1 0.486 73.7 78.5 -89.1 -5.6 7.3 9.9 29.3 395 188 B A S S+ 0 0 63 -50,-0.4 -1,-0.2 2,-0.0 -49,-0.1 0.710 84.0 82.0 -72.3 -21.1 5.0 9.4 32.3 396 189 B Q S S- 0 0 65 -3,-0.4 2,-0.1 1,-0.2 0, 0.0 -0.044 93.6 -82.1 -71.5-177.4 3.4 12.7 31.3 397 190 B S > - 0 0 55 1,-0.1 4,-3.5 4,-0.0 5,-0.2 -0.381 39.9 -98.0 -89.1 164.9 0.7 13.0 28.7 398 191 B I H > S+ 0 0 130 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.790 125.0 47.8 -50.2 -36.6 1.0 13.3 24.9 399 192 B E H > S+ 0 0 137 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.938 114.5 45.6 -70.7 -49.5 0.7 17.1 25.1 400 193 B Q H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 114.7 47.6 -60.7 -43.9 3.3 17.4 27.9 401 194 B V H X S+ 0 0 23 -4,-3.5 4,-2.0 2,-0.2 3,-0.5 0.986 112.7 48.7 -62.8 -55.5 5.7 15.0 26.1 402 195 B T H X S+ 0 0 38 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.887 111.0 52.1 -47.7 -46.4 5.4 16.8 22.8 403 196 B A H X S+ 0 0 30 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.841 109.6 46.2 -63.5 -39.5 6.0 20.2 24.5 404 197 B D H X S+ 0 0 48 -4,-1.8 4,-2.7 -3,-0.5 5,-0.3 0.834 113.7 49.4 -72.7 -35.6 9.2 19.2 26.3 405 198 B I H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.974 111.2 49.5 -65.0 -49.8 10.6 17.6 23.2 406 199 B R H X S+ 0 0 69 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.875 116.6 42.1 -58.6 -42.0 9.7 20.7 21.2 407 200 B R H X S+ 0 0 171 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.932 113.9 49.1 -70.7 -48.3 11.4 23.0 23.8 408 201 B A H X S+ 0 0 17 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.921 115.9 45.9 -55.8 -43.8 14.5 20.9 24.4 409 202 B L H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.921 110.4 53.0 -65.0 -43.9 15.0 20.6 20.7 410 203 B Q H X S+ 0 0 66 -4,-2.0 4,-1.4 -5,-0.3 3,-0.2 0.936 109.3 48.8 -57.2 -52.1 14.4 24.4 20.2 411 204 B D H >X S+ 0 0 93 -4,-2.9 4,-2.3 1,-0.2 3,-0.6 0.951 109.3 52.2 -52.7 -56.8 17.1 25.3 22.8 412 205 B W H 3< S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.819 104.4 56.5 -51.5 -38.4 19.7 23.0 21.3 413 206 B L H 3< S+ 0 0 32 -4,-1.9 3,-0.3 -3,-0.2 -1,-0.2 0.889 111.2 42.8 -63.7 -40.9 19.2 24.5 17.8 414 207 B S H << S+ 0 0 96 -4,-1.4 2,-2.1 -3,-0.6 -2,-0.2 0.882 103.5 66.0 -71.3 -40.8 20.0 28.1 19.0 415 208 B Q S < S+ 0 0 158 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 -0.329 87.4 91.0 -82.2 55.1 22.9 26.9 21.1 416 209 B V 0 0 51 -2,-2.1 -4,-0.0 -3,-0.3 0, 0.0 -0.884 360.0 360.0-154.6 115.8 24.7 25.9 17.9 417 210 B N 0 0 217 -2,-0.3 -1,-0.1 0, 0.0 -4,-0.0 -0.088 360.0 360.0 151.2 360.0 27.1 28.3 16.0